3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide

C17H18Cl2N2O2 — CID 109039909

IUPAC3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCNc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O2/c1-2-23-13-8-6-12(7-9-13)21-16(22)10-11-20-17-14(18)4-3-5-15(17)19/h3-9,20H,2,10-11H2,1H3,(H,21,22)
InChIKeyCYZQQFLDPQURHP-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.83
Rot. Bonds7

About 3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide

3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide (PubChem CID 109039909) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide
PubChem CID109039909
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCNc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O2/c1-2-23-13-8-6-12(7-9-13)21-16(22)10-11-20-17-14(18)4-3-5-15(17)19/h3-9,20H,2,10-11H2,1H3,(H,21,22)
InChIKeyCYZQQFLDPQURHP-UHFFFAOYSA-N
XLogP4.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109038041
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109038619
3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039023
3-(4-acetylanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039871
2-(N-acetyl-2,6-dichloroanilino)-N-(4-ethoxyphenyl)acetamide
CID 113180044
3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039917
4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 4545792
3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide
CID 109037316
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
N-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide
CID 109039968
N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035452
3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035835

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide (CID 109039909) is 3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCNc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide?
The InChIKey is CYZQQFLDPQURHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-2-23-13-8-6-12(7-9-13)21-16(22)10-11-20-17-14(18)4-3-5-15(17)19/h3-9,20H,2,10-11H2,1H3,(H,21,22).
What are the key properties of 3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide?
3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide has a molecular weight of 353.25 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 109039909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).